#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir h SER 2 N 0.00 -1.25 -0.29 1.61 0.02 -2.07 -2.94 113.55 108.64 2dir h SER 2 Ca 0.00 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2dir h SER 2 Cb 0.00 0.40 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2dir h SER 2 CO 0.00 -0.64 0.07 0.77 -1.14 0.00 0.00 176.83 175.89 2dir h SER 3 N -0.98 0.04 -6.94 3.07 4.64 -2.08 -3.46 113.55 107.84 2dir h SER 3 Ca -0.06 0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.72 2dir h SER 3 Cb 0.84 0.05 -0.30 0.00 -0.31 0.00 0.00 62.40 62.68 2dir h SER 3 CO -0.03 0.06 -0.85 0.61 -0.87 0.00 0.00 176.83 175.75 2dir n GLY 4 N -1.20 -0.42 3.82 -0.77 0.00 -1.11 0.52 105.19 106.01 2dir n GLY 4 Ca -0.00 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2dir n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dir n SER 5 N -2.51 -3.26 -3.67 1.61 7.64 -1.26 -4.98 113.62 107.19 2dir n SER 5 Ca 0.10 -0.79 -0.11 0.00 1.01 0.00 0.00 58.87 59.07 2dir n SER 5 Cb 0.47 -3.98 -0.12 0.00 -1.01 0.00 0.00 64.21 59.57 2dir n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dir s SER 6 N -3.77 0.00 -0.30 6.43 1.04 0.18 -5.12 113.70 112.16 2dir s SER 6 Ca 0.38 0.75 -0.02 0.00 0.48 0.00 0.00 55.95 57.54 2dir s SER 6 Cb -0.19 0.89 0.10 0.00 0.10 0.00 0.00 66.02 66.92 2dir s SER 6 CO 0.82 -0.22 0.11 -0.83 0.98 0.00 0.00 173.24 174.09 2dir s GLY 7 N 2.26 0.88 -1.16 7.32 0.00 -1.26 -4.75 107.32 110.60 2dir s GLY 7 Ca -0.02 -1.47 -0.14 0.00 0.00 0.00 0.00 44.72 43.09 2dir s GLY 7 CO -0.10 1.77 1.37 0.54 0.00 0.00 0.00 173.10 176.67 2dir s LYS 8 N 1.78 4.03 0.26 2.90 -0.14 -1.26 -4.86 119.74 122.45 2dir s LYS 8 Ca 0.09 -2.51 0.14 0.00 -1.36 0.00 0.00 55.97 52.34 2dir s LYS 8 Cb -0.17 -5.01 0.93 0.00 -1.68 0.00 0.00 37.83 31.91 2dir s LYS 8 CO -0.29 -1.73 1.12 0.00 -0.76 0.00 0.00 175.35 173.69 2dir n ALA 9 N 5.58 0.71 0.06 5.17 0.00 -1.26 0.70 120.51 131.47 2dir n ALA 9 Ca 0.34 0.73 -0.14 0.00 0.00 0.00 0.00 53.44 54.37 2dir n ALA 9 Cb 0.43 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 2dir n ALA 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2dir h PHE 10 N 0.00 -1.23 0.10 0.00 3.04 -2.00 -1.48 116.94 115.36 2dir h PHE 10 Ca 0.59 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.58 2dir h PHE 10 Cb 1.56 0.54 0.00 0.00 2.56 0.00 0.00 35.95 40.61 2dir h PHE 10 CO -0.03 -0.51 -0.05 -0.07 -2.02 0.00 0.00 178.31 175.64 2dir h LEU 11 N -0.58 -0.11 -0.33 0.59 3.38 -0.14 -2.54 115.31 115.58 2dir h LEU 11 Ca 0.04 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.67 2dir h LEU 11 Cb 0.66 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2dir h LEU 11 CO -0.33 0.34 -0.19 -0.62 0.09 0.00 0.00 178.44 177.73 2dir n GLU 12 N -4.94 -0.14 0.26 1.13 4.71 -0.47 -0.49 120.64 120.69 2dir n GLU 12 Ca -0.09 1.10 -0.14 0.00 -0.01 0.00 0.00 57.16 58.02 2dir n GLU 12 Cb 0.24 -1.63 -0.07 0.00 -1.01 0.00 0.00 31.44 28.97 2dir n GLU 12 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2dir h ASP 13 N 0.00 -0.99 -0.72 1.62 3.32 -1.38 -2.66 116.42 115.61 2dir h ASP 13 Ca 0.05 0.07 0.17 0.00 0.02 0.00 0.00 57.03 57.34 2dir h ASP 13 Cb 0.13 0.31 -0.14 0.00 0.22 0.00 0.00 39.33 39.86 2dir h ASP 13 CO -0.31 -0.52 -0.09 0.80 -1.72 0.00 0.00 179.24 177.41 2dir n MET 14 N -4.67 -0.06 0.26 3.56 1.56 -0.87 0.01 117.12 116.90 2dir n MET 14 Ca -0.10 1.11 -0.14 0.00 -0.27 0.00 0.00 57.70 58.30 2dir n MET 14 Cb 0.35 -1.70 -0.08 0.00 2.15 0.00 0.00 33.22 33.94 2dir n MET 14 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 2dir h LYS 15 N 0.00 -0.79 -0.48 2.12 1.57 -0.45 0.63 116.57 119.18 2dir h LYS 15 Ca 0.39 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.30 2dir h LYS 15 Cb 0.70 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 33.10 2dir h LYS 15 CO -0.72 -0.53 -0.44 -0.22 -0.57 0.00 0.00 179.45 176.98 2dir h LYS 16 N -0.82 -0.28 0.02 3.15 3.11 -0.19 0.95 116.57 122.51 2dir h LYS 16 Ca -0.06 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2dir h LYS 16 Cb 0.70 0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.99 2dir h LYS 16 CO -0.01 -0.19 -0.04 -0.92 -2.81 0.00 0.00 179.45 175.48 2dir h TYR 17 N -0.29 -0.10 -1.41 1.91 3.20 -1.13 -1.17 116.97 117.98 2dir h TYR 17 Ca 0.15 0.00 0.46 0.00 3.14 0.00 0.00 58.73 62.48 2dir h TYR 17 Cb 0.58 0.04 -0.13 0.00 1.54 0.00 0.00 36.73 38.76 2dir h TYR 17 CO -0.67 -0.05 0.92 0.00 -1.64 0.00 0.00 178.16 176.73 2dir h ALA 18 N -1.60 2.89 -0.32 1.82 0.00 -0.64 0.39 119.26 121.79 2dir h ALA 18 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dir h ALA 18 Cb 0.06 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dir h ALA 18 CO -0.01 -1.53 0.00 -1.91 0.00 0.00 0.00 179.25 175.80 2dir n GLU 19 N -4.62 0.00 0.11 0.00 2.13 0.31 0.75 120.64 119.31 2dir n GLU 19 Ca 0.39 0.45 0.07 0.00 0.66 0.00 0.00 57.16 58.72 2dir n GLU 19 Cb 1.53 -1.30 0.35 0.00 0.27 0.00 0.00 31.44 32.29 2dir n GLU 19 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2dir n THR 20 N -1.84 1.26 -0.04 6.31 5.66 -0.52 0.57 114.28 125.68 2dir n THR 20 Ca 0.00 0.66 -0.15 0.00 -3.05 0.00 0.00 64.05 61.50 2dir n THR 20 Cb 0.00 -1.66 -0.14 0.00 -1.55 0.00 0.00 70.33 66.98 2dir n THR 20 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2dir n PHE 21 N -1.95 0.79 1.17 1.09 7.35 0.13 -4.18 117.46 121.86 2dir n PHE 21 Ca -0.01 0.21 0.13 0.00 -0.76 0.00 0.00 57.45 57.02 2dir n PHE 21 Cb 0.08 -1.12 0.24 0.00 0.35 0.00 0.00 39.48 39.02 2dir n PHE 21 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2dir n LEU 22 N -3.21 2.37 -0.14 -2.13 4.77 0.23 -4.48 117.00 114.41 2dir n LEU 22 Ca -0.30 -0.79 -0.11 0.00 -0.03 0.00 0.00 56.01 54.78 2dir n LEU 22 Cb 1.05 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 42.08 2dir n LEU 22 CO 0.41 0.40 0.56 -0.33 -1.33 0.00 0.00 177.39 177.09 2dir h GLU 23 N 3.65 -0.32 0.00 3.23 5.08 -0.04 1.45 114.58 127.64 2dir h GLU 23 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dir h GLU 23 Cb 0.81 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2dir h GLU 23 CO 0.00 -0.21 0.00 -0.35 -1.00 0.00 0.00 179.01 177.45 2dir n PRO 24 N -5.41 0.15 -0.02 2.33 -0.04 -1.26 0.33 135.00 131.09 2dir n PRO 24 Ca -0.01 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 2dir n PRO 24 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 2dir n PRO 24 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2dir n TRP 25 N -1.35 0.00 0.00 0.54 8.01 0.16 -4.61 117.44 120.20 2dir n TRP 25 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 2dir n TRP 25 Cb 0.13 -0.41 0.00 0.00 -2.01 0.00 0.00 31.31 29.02 2dir n TRP 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2dir n PHE 26 N -2.12 0.00 -2.56 -5.99 3.72 0.45 -4.45 117.46 106.50 2dir n PHE 26 Ca -0.06 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.94 2dir n PHE 26 Cb 0.49 0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 39.06 2dir n PHE 26 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2dir s LYS 27 N -1.61 4.64 0.87 -1.08 2.20 1.01 -3.88 119.74 121.90 2dir s LYS 27 Ca 0.00 1.67 -0.17 0.00 -0.36 0.00 0.00 55.97 57.11 2dir s LYS 27 Cb 0.00 -3.28 -0.13 0.00 -1.51 0.00 0.00 37.83 32.91 2dir s LYS 27 CO 0.00 0.16 -0.46 0.00 -0.36 0.00 0.00 175.35 174.69 2dir n ALA 28 N 2.18 -4.47 0.88 3.13 0.00 -1.26 -2.20 120.51 118.77 2dir n ALA 28 Ca 0.02 -0.52 0.08 0.00 0.00 0.00 0.00 53.44 53.02 2dir n ALA 28 Cb 0.46 -1.31 0.43 0.00 0.00 0.00 0.00 19.45 19.04 2dir n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dir n PRO 29 N 1.68 0.39 -2.57 0.00 -0.04 -1.26 -4.81 135.00 128.39 2dir n PRO 29 Ca 0.02 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 63.20 2dir n PRO 29 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2dir n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2dir s ASN 30 N -2.20 6.74 -0.07 3.54 0.01 -0.94 -5.06 114.94 116.97 2dir s ASN 30 Ca 0.20 1.60 -0.32 0.00 -0.71 0.00 0.00 52.86 53.63 2dir s ASN 30 Cb 0.10 -2.51 0.12 0.00 0.41 0.00 0.00 41.25 39.38 2dir s ASN 30 CO 0.20 -0.49 1.25 -1.59 -1.51 0.00 0.00 177.10 174.95 2dir s LYS 31 N -3.72 0.40 0.00 -0.60 -2.85 -1.25 -3.90 119.74 107.81 2dir s LYS 31 Ca 0.60 -0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.36 2dir s LYS 31 Cb -0.10 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 2dir s LYS 31 CO 0.24 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.92 2dir n GLY 32 N -0.36 0.49 3.92 0.59 0.00 -1.26 -4.99 105.19 103.58 2dir n GLY 32 Ca -0.06 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.19 2dir n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dir s THR 33 N -3.24 2.66 0.14 2.61 -4.23 -1.26 -1.32 115.64 111.00 2dir s THR 33 Ca 0.00 -1.24 -0.25 0.00 -1.18 0.00 0.00 61.69 59.02 2dir s THR 33 Cb 0.00 -2.90 0.07 0.00 1.34 0.00 0.00 72.50 71.01 2dir s THR 33 CO 0.00 0.00 0.92 0.72 -0.54 0.00 0.00 174.62 175.72 2dir s PHE 34 N -2.47 -0.18 -0.17 3.99 -0.71 -1.24 -1.82 117.98 115.39 2dir s PHE 34 Ca 0.50 -0.11 -0.03 0.00 -1.04 0.00 0.00 56.93 56.25 2dir s PHE 34 Cb -0.05 0.63 0.06 0.00 -1.21 0.00 0.00 43.02 42.44 2dir s PHE 34 CO 0.29 -0.82 0.04 1.14 -1.34 0.00 0.00 175.22 174.54 2dir s GLN 35 N -3.32 0.51 0.19 1.99 -2.07 -0.65 0.50 119.66 116.82 2dir s GLN 35 Ca 0.11 -0.27 -0.23 0.00 -1.82 0.00 0.00 55.36 53.15 2dir s GLN 35 Cb -0.02 -1.87 -0.08 0.00 -1.09 0.00 0.00 33.01 29.95 2dir s GLN 35 CO 0.00 -0.60 0.76 0.42 -1.32 0.00 0.00 175.29 174.56 2dir s ILE 36 N 1.94 4.44 -0.13 3.63 1.01 -1.26 -2.30 121.20 128.53 2dir s ILE 36 Ca 0.01 1.55 -0.04 0.00 0.00 0.00 0.00 60.65 62.17 2dir s ILE 36 Cb -0.16 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.35 2dir s ILE 36 CO -0.08 0.39 0.23 -0.69 0.00 0.00 0.00 174.94 174.79 2dir s VAL 37 N -1.31 -0.37 -0.65 2.92 1.01 -1.04 -4.99 120.40 115.96 2dir s VAL 37 Ca 0.39 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.40 2dir s VAL 37 Cb -0.20 -0.43 0.06 0.00 0.00 0.00 0.00 36.38 35.81 2dir s VAL 37 CO 0.24 0.09 1.00 -0.47 0.00 0.00 0.00 175.10 175.96 2dir s TYR 38 N 2.38 2.64 -0.19 5.22 5.04 -1.26 -1.40 117.35 129.78 2dir s TYR 38 Ca 0.02 -0.41 -0.16 0.00 -2.44 0.00 0.00 57.07 54.08 2dir s TYR 38 Cb -0.12 -4.30 -0.04 0.00 0.35 0.00 0.00 41.96 37.84 2dir s TYR 38 CO -0.08 -1.66 0.40 0.15 -1.34 0.00 0.00 175.55 173.01 2dir s LYS 39 N 4.27 4.20 -0.01 4.97 1.02 -0.38 -4.97 119.74 128.84 2dir s LYS 39 Ca 0.25 0.22 -0.02 0.00 0.02 0.00 0.00 55.97 56.44 2dir s LYS 39 Cb -0.15 -3.51 -0.00 0.00 -0.52 0.00 0.00 37.83 33.64 2dir s LYS 39 CO 0.12 0.01 0.04 -1.54 -0.92 0.00 0.00 175.35 173.06 2dir s SER 40 N 0.94 0.03 -0.15 2.83 1.04 -1.26 -1.98 113.70 115.14 2dir s SER 40 Ca 0.20 -0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 2dir s SER 40 Cb -0.15 0.12 -0.08 0.00 0.10 0.00 0.00 66.02 66.02 2dir s SER 40 CO 0.08 -0.13 -0.18 -1.14 0.98 0.00 0.00 173.24 172.84 2dir n ARG 41 N 2.49 0.34 -0.51 4.02 3.00 -1.26 -5.02 116.66 119.72 2dir n ARG 41 Ca -0.16 0.13 -0.29 0.00 -0.00 0.00 0.00 57.85 57.52 2dir n ARG 41 Cb 0.58 -1.12 0.24 0.00 0.00 0.00 0.00 32.46 32.15 2dir n ARG 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2dir n ASN 42 N -3.49 -2.28 -0.00 6.15 4.13 -1.26 -4.98 115.26 113.52 2dir n ASN 42 Ca -0.30 -0.25 -0.02 0.00 1.68 0.00 0.00 54.58 55.70 2dir n ASN 42 Cb 0.73 -1.11 -0.01 0.00 -1.54 0.00 0.00 39.78 37.85 2dir n ASN 42 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2dir h ASN 43 N -2.61 -0.10 -2.04 6.41 4.21 -2.02 -3.42 115.58 116.01 2dir h ASN 43 Ca -0.58 -0.01 -0.51 0.00 1.21 0.00 0.00 56.30 56.42 2dir h ASN 43 Cb 1.33 0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 38.53 2dir h ASN 43 CO 0.43 0.39 1.40 -0.44 -1.29 0.00 0.00 177.43 177.93 2dir s SER 44 N -5.43 5.22 -0.26 5.81 0.01 -1.26 -4.94 113.70 112.85 2dir s SER 44 Ca -0.02 0.75 -0.01 0.00 1.31 0.00 0.00 55.95 57.98 2dir s SER 44 Cb 0.00 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.75 2dir s SER 44 CO 0.06 -2.34 -0.06 -1.38 0.41 0.00 0.00 173.24 169.92 2dir s HIS 45 N 9.30 3.13 0.84 2.43 -3.43 -1.26 -5.08 115.29 121.22 2dir s HIS 45 Ca 0.77 -1.76 -0.15 0.00 -0.80 0.00 0.00 55.06 53.12 2dir s HIS 45 Cb -0.16 -2.04 -0.03 0.00 -1.43 0.00 0.00 32.58 28.92 2dir s HIS 45 CO 0.25 -0.78 0.25 1.55 -2.00 0.00 0.00 174.74 174.01 2dir n VAL 46 N 4.62 0.72 -1.06 -5.38 3.14 -1.26 -4.50 118.33 114.61 2dir n VAL 46 Ca -0.16 -0.34 -0.32 0.00 -2.96 0.00 0.00 64.34 60.56 2dir n VAL 46 Cb 0.45 -0.54 -0.10 0.00 -1.06 0.00 0.00 33.84 32.59 2dir n VAL 46 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2dir n ASN 47 N 0.01 0.28 0.29 6.55 4.13 -1.26 -4.78 115.26 120.48 2dir n ASN 47 Ca 0.07 0.20 -0.16 0.00 1.68 0.00 0.00 54.58 56.37 2dir n ASN 47 Cb 0.52 -0.67 -0.08 0.00 -1.54 0.00 0.00 39.78 38.01 2dir n ASN 47 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 2dir h ARG 48 N 8.31 -0.68 -0.51 3.52 2.43 -2.01 -2.65 114.38 122.80 2dir h ARG 48 Ca -0.04 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2dir h ARG 48 Cb 0.97 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 30.58 2dir h ARG 48 CO 0.97 -0.40 -0.15 1.05 -1.51 0.00 0.00 179.97 179.93 2dir h GLU 49 N -0.84 -0.02 -0.66 0.20 4.11 -1.99 -0.18 114.58 115.20 2dir h GLU 49 Ca -0.07 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.49 2dir h GLU 49 Cb 0.60 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 2dir h GLU 49 CO 0.12 -0.02 0.16 0.93 0.07 0.00 0.00 179.01 180.28 2dir h GLU 50 N -0.02 0.28 0.74 1.06 3.07 -1.92 0.32 114.58 118.09 2dir h GLU 50 Ca 0.24 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 2dir h GLU 50 Cb 0.40 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2dir h GLU 50 CO -0.54 0.18 -0.35 0.28 -1.40 0.00 0.00 179.01 177.18 2dir h VAL 51 N 0.29 0.13 0.09 3.13 2.07 -0.73 -1.58 116.25 119.65 2dir h VAL 51 Ca 0.36 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2dir h VAL 51 Cb 0.55 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2dir h VAL 51 CO -0.44 0.01 -0.08 0.40 0.02 0.00 0.00 177.57 177.48 2dir h ILE 52 N -1.17 0.00 -0.94 4.57 2.04 -0.73 0.16 117.51 121.44 2dir h ILE 52 Ca -0.10 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.93 2dir h ILE 52 Cb 0.78 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.69 2dir h ILE 52 CO 0.17 0.00 -0.30 0.03 0.00 0.00 0.00 178.15 178.05 2dir h ARG 53 N -0.17 -0.01 0.10 2.37 -0.00 -0.51 -1.12 114.38 115.03 2dir h ARG 53 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.46 2dir h ARG 53 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.12 2dir h ARG 53 CO -0.01 -0.01 -0.06 1.49 0.00 0.00 0.00 179.97 181.39 2dir h GLU 54 N -0.01 -0.14 -1.62 0.04 4.57 -1.12 -0.30 114.58 116.00 2dir h GLU 54 Ca 0.40 0.01 0.48 0.00 -1.18 0.00 0.00 59.36 59.07 2dir h GLU 54 Cb 0.65 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.20 2dir h GLU 54 CO -0.96 -0.09 1.16 1.28 -1.18 0.00 0.00 179.01 179.22 2dir n LEU 55 N -2.48 0.02 -0.06 1.64 4.77 0.55 0.13 117.00 121.57 2dir n LEU 55 Ca -0.02 0.88 -0.13 0.00 -0.03 0.00 0.00 56.01 56.72 2dir n LEU 55 Cb 0.06 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 2dir n LEU 55 CO 0.04 -0.90 0.37 0.00 -1.33 0.00 0.00 177.39 175.58 2dir h ALA 56 N 0.90 -0.00 -1.00 -1.18 0.00 -0.73 -3.22 119.26 114.03 2dir h ALA 56 Ca 0.79 -0.44 0.29 0.00 0.00 0.00 0.00 54.91 55.56 2dir h ALA 56 Cb 3.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 20.87 2dir h ALA 56 CO -0.06 -0.02 0.73 0.78 0.00 0.00 0.00 179.25 180.69 2dir h GLY 57 N -0.97 0.00 0.39 0.00 0.00 0.28 -1.31 103.07 101.46 2dir h GLY 57 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2dir h GLY 57 CO 0.00 0.00 -0.07 -2.22 0.00 0.00 0.00 176.54 174.25 2dir h ILE 58 N 0.00 0.91 -0.97 2.60 2.04 -1.48 -3.12 117.51 117.49 2dir h ILE 58 Ca 0.48 -1.12 0.15 0.00 1.00 0.00 0.00 64.86 65.37 2dir h ILE 58 Cb 1.94 1.51 -0.16 0.00 -0.74 0.00 0.00 36.82 39.37 2dir h ILE 58 CO -0.01 0.23 -0.37 0.52 0.00 0.00 0.00 178.15 178.52 2dir n VAL 59 N -4.92 -0.51 -0.30 1.67 0.31 -0.50 0.13 118.33 114.21 2dir n VAL 59 Ca -0.08 2.28 0.03 0.00 -0.01 0.00 0.00 64.34 66.56 2dir n VAL 59 Cb 0.27 -3.02 0.23 0.00 -0.91 0.00 0.00 33.84 30.41 2dir n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dir h THR 61 N 1.05 0.77 0.07 0.00 2.02 0.12 -3.01 112.91 113.92 2dir h THR 61 Ca 0.38 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.51 2dir h THR 61 Cb 0.15 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2dir h THR 61 CO -0.13 0.02 -0.03 -0.07 0.37 0.00 0.00 175.52 175.68 2dir h LEU 62 N 0.13 -0.08 -7.85 2.58 3.38 -0.76 -3.45 115.31 109.27 2dir h LEU 62 Ca 0.27 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.65 2dir h LEU 62 Cb 0.90 0.02 -0.36 0.00 0.09 0.00 0.00 40.66 41.30 2dir h LEU 62 CO -0.04 -0.02 -0.83 0.21 0.09 0.00 0.00 178.44 177.86 2dir s ASN 63 N -2.85 2.77 0.59 -0.43 3.84 -1.14 -4.71 114.94 113.01 2dir s ASN 63 Ca -0.01 -0.54 0.29 0.00 0.21 0.00 0.00 52.86 52.80 2dir s ASN 63 Cb 0.00 -1.15 1.56 0.00 -0.55 0.00 0.00 41.25 41.11 2dir s ASN 63 CO 0.04 -0.08 1.99 -1.28 -2.79 0.00 0.00 177.10 174.98 2dir h SER 64 N 8.05 0.00 0.68 -4.21 0.87 -1.87 0.38 113.55 117.45 2dir h SER 64 Ca -0.35 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 2dir h SER 64 Cb 1.13 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2dir h SER 64 CO 0.51 0.00 -0.16 -0.33 -0.53 0.00 0.00 176.83 176.31 2dir h GLU 65 N 0.00 0.00 -6.73 2.24 4.39 -1.94 -3.44 114.58 109.10 2dir h GLU 65 Ca 0.15 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.32 2dir h GLU 65 Cb 0.84 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.54 2dir h GLU 65 CO -0.00 0.16 0.69 -0.80 -1.16 0.00 0.00 179.01 177.91 2dir s ASN 66 N -6.11 6.78 -0.22 1.42 0.01 0.13 -4.38 114.94 112.57 2dir s ASN 66 Ca -0.01 2.55 -0.04 0.00 -0.71 0.00 0.00 52.86 54.65 2dir s ASN 66 Cb 0.11 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.25 2dir s ASN 66 CO 0.60 -0.60 0.23 -0.54 -1.51 0.00 0.00 177.10 175.29 2dir s LYS 67 N -0.44 0.21 -0.03 -0.60 1.02 -0.44 -4.73 119.74 114.73 2dir s LYS 67 Ca 0.57 0.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.40 2dir s LYS 67 Cb -0.39 -1.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.71 2dir s LYS 67 CO 0.42 -0.71 1.98 0.54 -0.92 0.00 0.00 175.35 176.66 2dir s VAL 68 N 2.33 3.08 0.05 3.17 0.11 -1.26 -3.60 120.40 124.27 2dir s VAL 68 Ca 0.07 0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.29 2dir s VAL 68 Cb -0.16 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.60 2dir s VAL 68 CO -0.16 -0.02 -0.22 -0.62 -3.33 0.00 0.00 175.10 170.76 2dir s ASP 69 N 5.10 2.63 0.00 3.54 -1.08 0.18 -4.82 116.67 122.22 2dir s ASP 69 Ca 0.89 -0.56 0.13 0.00 -0.52 0.00 0.00 52.55 52.49 2dir s ASP 69 Cb -0.40 -0.21 0.22 0.00 -1.46 0.00 0.00 42.92 41.07 2dir s ASP 69 CO 0.39 0.17 1.09 0.18 0.52 0.00 0.00 175.17 177.51 2dir n LEU 70 N 1.71 2.54 -0.04 -1.34 4.77 -1.26 -3.54 117.00 119.84 2dir n LEU 70 Ca -0.17 -1.44 -0.07 0.00 -0.03 0.00 0.00 56.01 54.30 2dir n LEU 70 Cb 0.53 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2dir n LEU 70 CO 0.23 0.56 -0.47 0.41 -1.33 0.00 0.00 177.39 176.78 2dir n THR 71 N 0.72 1.33 -2.71 -5.08 -1.04 -1.26 -4.82 114.28 101.42 2dir n THR 71 Ca 0.10 0.20 -0.27 0.00 -2.04 0.00 0.00 64.05 62.04 2dir n THR 71 Cb 0.39 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 66.89 2dir n THR 71 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2dir n ASN 72 N -4.01 4.69 -4.72 8.00 4.13 -1.26 -5.07 115.26 117.02 2dir n ASN 72 Ca -0.11 -3.71 -0.42 0.00 1.68 0.00 0.00 54.58 52.03 2dir n ASN 72 Cb 0.35 -0.53 -0.03 0.00 -1.54 0.00 0.00 39.78 38.03 2dir n ASN 72 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dir s PRO 73 N -3.53 4.35 0.02 3.52 0.04 -1.26 -4.82 135.00 133.32 2dir s PRO 73 Ca 0.48 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.54 2dir s PRO 73 Cb 0.34 -3.24 -0.27 0.00 0.04 0.00 0.00 34.50 31.36 2dir s PRO 73 CO -0.17 -0.37 0.93 1.96 0.04 0.00 0.00 177.00 179.39 2dir h GLN 74 N 6.41 0.22 -4.39 4.56 4.20 -1.69 -3.44 115.11 120.98 2dir h GLN 74 Ca -0.43 -0.37 -0.52 0.00 0.06 0.00 0.00 58.65 57.39 2dir h GLN 74 Cb 1.21 0.14 -0.35 0.00 0.30 0.00 0.00 27.48 28.78 2dir h GLN 74 CO 0.83 1.09 -0.81 0.71 -0.67 0.00 0.00 178.83 179.98 2dir s TYR 75 N -2.63 1.49 -0.45 2.96 2.02 -0.75 -3.07 117.35 116.92 2dir s TYR 75 Ca -0.07 -0.66 -0.17 0.00 -0.37 0.00 0.00 57.07 55.80 2dir s TYR 75 Cb 0.07 -1.16 0.04 0.00 -0.40 0.00 0.00 41.96 40.51 2dir s TYR 75 CO 0.85 -0.40 0.47 0.99 -1.57 0.00 0.00 175.55 175.89 2dir s THR 76 N 1.19 5.07 -0.52 -0.71 2.01 -0.16 -1.63 115.64 120.88 2dir s THR 76 Ca -0.04 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.30 2dir s THR 76 Cb -0.14 -4.11 0.12 0.00 0.01 0.00 0.00 72.50 68.38 2dir s THR 76 CO -0.03 -0.53 0.47 0.68 -0.69 0.00 0.00 174.62 174.53 2dir s VAL 77 N 2.15 5.12 -0.01 3.82 -7.23 -0.97 -1.72 120.40 121.56 2dir s VAL 77 Ca 0.11 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 2dir s VAL 77 Cb -0.19 -4.26 -0.04 0.00 0.56 0.00 0.00 36.38 32.46 2dir s VAL 77 CO 0.12 -0.82 0.15 0.68 -0.31 0.00 0.00 175.10 174.92 2dir s VAL 78 N 1.58 5.22 -0.30 1.32 -7.23 -0.78 -2.50 120.40 117.71 2dir s VAL 78 Ca 0.03 -0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2dir s VAL 78 Cb -0.29 -3.41 0.09 0.00 0.56 0.00 0.00 36.38 33.32 2dir s VAL 78 CO 0.03 0.35 0.02 0.68 -0.31 0.00 0.00 175.10 175.87 2dir s VAL 79 N -1.27 1.82 0.14 1.32 -7.23 -0.49 -1.14 120.40 113.56 2dir s VAL 79 Ca 0.25 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 2dir s VAL 79 Cb -0.12 -2.24 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 2dir s VAL 79 CO 0.16 -0.44 0.51 -0.70 -0.31 0.00 0.00 175.10 174.32 2dir s GLU 80 N 1.17 3.89 -0.34 4.82 2.12 -0.32 -1.25 118.70 128.79 2dir s GLU 80 Ca 0.05 0.36 -0.05 0.00 0.36 0.00 0.00 54.97 55.69 2dir s GLU 80 Cb -0.19 -2.90 0.05 0.00 0.26 0.00 0.00 34.13 31.35 2dir s GLU 80 CO -0.11 0.47 0.09 0.42 -0.54 0.00 0.00 175.26 175.60 2dir s ILE 81 N -1.51 3.58 -0.32 -3.70 -1.09 -0.84 -1.10 121.20 116.22 2dir s ILE 81 Ca 0.38 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 2dir s ILE 81 Cb -0.14 -3.07 0.10 0.00 -1.58 0.00 0.00 42.46 37.78 2dir s ILE 81 CO 0.19 -0.21 0.10 -0.63 -1.23 0.00 0.00 174.94 173.16 2dir s ILE 82 N 1.35 1.18 -0.69 2.92 1.01 -1.12 -4.44 121.20 121.40 2dir s ILE 82 Ca -0.02 -1.65 -0.01 0.00 0.00 0.00 0.00 60.65 58.97 2dir s ILE 82 Cb -0.20 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 2dir s ILE 82 CO 0.01 -0.68 0.59 0.29 0.00 0.00 0.00 174.94 175.15 2dir n LYS 83 N 4.65 -3.19 -3.76 2.79 4.76 -1.26 -3.38 118.16 118.77 2dir n LYS 83 Ca -0.00 0.51 -0.25 0.00 -2.87 0.00 0.00 58.31 55.70 2dir n LYS 83 Cb 0.42 -4.40 0.04 0.00 -1.84 0.00 0.00 35.03 29.25 2dir n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dir n ALA 84 N -2.78 -1.60 -3.09 7.82 0.00 -1.26 -4.99 120.51 114.62 2dir n ALA 84 Ca -0.13 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 2dir n ALA 84 Cb 0.59 -3.62 -0.15 0.00 0.00 0.00 0.00 19.45 16.27 2dir n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dir s VAL 85 N -3.44 0.72 -0.45 0.00 0.11 -1.22 -5.11 120.40 111.01 2dir s VAL 85 Ca 0.38 -0.32 -0.22 0.00 -2.93 0.00 0.00 61.98 58.89 2dir s VAL 85 Cb -0.18 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 2dir s VAL 85 CO 0.80 0.23 0.72 0.00 -3.33 0.00 0.00 175.10 173.52 2dir s LEU 88 N 1.53 4.07 -0.17 0.00 1.02 -1.26 -1.17 118.68 122.69 2dir s LEU 88 Ca 0.04 0.60 0.01 0.00 0.02 0.00 0.00 54.13 54.80 2dir s LEU 88 Cb -0.25 -2.73 0.02 0.00 0.02 0.00 0.00 46.19 43.24 2dir s LEU 88 CO 0.04 -0.30 -0.18 -0.55 0.02 0.00 0.00 176.35 175.37 2dir s SER 89 N 1.48 3.06 -0.26 2.29 0.15 -0.29 -4.98 113.70 115.15 2dir s SER 89 Ca 0.23 -0.64 -0.10 0.00 0.70 0.00 0.00 55.95 56.14 2dir s SER 89 Cb -0.16 -1.39 -0.05 0.00 -1.71 0.00 0.00 66.02 62.71 2dir s SER 89 CO 0.09 -0.03 0.16 -0.69 1.20 0.00 0.00 173.24 173.97 2dir s VAL 90 N 1.34 5.19 -0.14 4.45 1.01 -1.26 -1.87 120.40 129.12 2dir s VAL 90 Ca 0.04 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2dir s VAL 90 Cb -0.13 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.82 2dir s VAL 90 CO -0.12 0.31 -0.17 -0.69 0.00 0.00 0.00 175.10 174.43 2dir s VAL 91 N 1.40 1.75 -0.57 2.92 1.01 -0.70 -4.95 120.40 121.26 2dir s VAL 91 Ca 0.07 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 2dir s VAL 91 Cb -0.15 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.70 2dir s VAL 91 CO 0.07 0.49 0.86 -0.75 0.00 0.00 0.00 175.10 175.77 2dir s LYS 92 N 1.22 3.20 -0.16 2.72 2.20 -1.26 -0.99 119.74 126.66 2dir s LYS 92 Ca 0.00 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 2dir s LYS 92 Cb -0.14 -4.13 0.03 0.00 -1.51 0.00 0.00 37.83 32.09 2dir s LYS 92 CO -0.08 -1.52 -0.12 0.45 -0.36 0.00 0.00 175.35 173.73 2dir s SER 93 N 3.08 2.87 0.36 1.43 0.15 -1.17 -5.05 113.70 115.37 2dir s SER 93 Ca 0.23 -0.61 -0.06 0.00 0.70 0.00 0.00 55.95 56.21 2dir s SER 93 Cb -0.16 -1.15 0.02 0.00 -1.71 0.00 0.00 66.02 63.01 2dir s SER 93 CO 0.14 -0.10 0.57 -0.83 1.20 0.00 0.00 173.24 174.22 2dir s GLY 94 N 1.48 1.15 0.00 9.45 0.00 -1.26 -4.54 107.32 113.60 2dir s GLY 94 Ca 0.03 -1.28 0.15 0.00 0.00 0.00 0.00 44.72 43.61 2dir s GLY 94 CO -0.10 -0.79 1.39 -1.55 0.00 0.00 0.00 173.10 172.05 2dir n PRO 95 N -0.55 0.28 -2.17 2.90 -0.04 -1.26 -4.80 135.00 129.35 2dir n PRO 95 Ca -0.02 0.11 -0.36 0.00 -0.04 0.00 0.00 63.50 63.20 2dir n PRO 95 Cb 0.61 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.58 2dir n PRO 95 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dir s SER 96 N -2.43 5.60 -1.44 3.54 1.04 -1.26 -3.26 113.70 115.48 2dir s SER 96 Ca 0.16 2.27 -0.10 0.00 0.48 0.00 0.00 55.95 58.77 2dir s SER 96 Cb 0.10 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.68 2dir s SER 96 CO 0.21 -1.31 0.98 -1.20 0.98 0.00 0.00 173.24 172.90 2dir n SER 97 N -1.29 -4.36 0.00 7.02 7.64 -1.26 -5.15 113.62 116.22 2dir n SER 97 Ca 0.12 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.27 2dir n SER 97 Cb 0.50 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.47 2dir n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64